N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide

C14H22N2O6 — CID 155452147

IUPACN-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide
SMILESC/C=C\C(=O)N(C=O)CCCOCON(C=O)C(=O)CCC
InChIInChI=1S/C14H22N2O6/c1-3-6-13(19)15(10-17)8-5-9-21-12-22-16(11-18)14(20)7-4-2/h3,6,10-11H,4-5,7-9,12H2,1-2H3/b6-3-
InChIKeyWWLGHTYRJATEJW-UTCJRWHESA-N
MW314.34 g/mol
LogP0.63
Rot. Bonds12

About N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide

N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide (PubChem CID 155452147) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide.

Molecular Properties

Compound NameN-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide
PubChem CID155452147
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC NameN-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide
SMILESC/C=C\C(=O)N(C=O)CCCOCON(C=O)C(=O)CCC
InChIInChI=1S/C14H22N2O6/c1-3-6-13(19)15(10-17)8-5-9-21-12-22-16(11-18)14(20)7-4-2/h3,6,10-11H,4-5,7-9,12H2,1-2H3/b6-3-
InChIKeyWWLGHTYRJATEJW-UTCJRWHESA-N
XLogP0.63
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-formyl-N-[3-[[formyl(propoxymethyl)amino]oxymethoxy]propyl]prop-2-enamide
CID 89066113
[methyl(4-oxobutanoyl)amino] formate;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
CID 144980202
[butanoyl(formyl)amino] 3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoate
CID 171560937

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide?
The IUPAC name of N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide (CID 155452147) is N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide.
What is the SMILES notation for N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide?
The canonical SMILES for N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide is C/C=C\C(=O)N(C=O)CCCOCON(C=O)C(=O)CCC.
What is the InChIKey of N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide?
The InChIKey is WWLGHTYRJATEJW-UTCJRWHESA-N. The full InChI is InChI=1S/C14H22N2O6/c1-3-6-13(19)15(10-17)8-5-9-21-12-22-16(11-18)14(20)7-4-2/h3,6,10-11H,4-5,7-9,12H2,1-2H3/b6-3-.
What are the key properties of N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide?
N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide has a molecular weight of 314.34 g/mol, XLogP of 0.63, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-but-2-enoyl]-formylamino]propoxymethoxy]-N-formylbutanamide is sourced from PubChem (CID 155452147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).